LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# bfo in a 3d periodic box

units 		metal
dimension 	3
boundary 	p p f
atom_style 	spin

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice 	sc 3.96
Lattice spacing in x,y,z = 3.96 3.96 3.96
region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
  2 by 2 by 1 MPI processor grid
create_atoms 	1 box
Created 5780 atoms
  create_atoms CPU = 0.000908136 secs

# setting mass, mag. moments, and interactions for bcc iron

mass		1 1.0
set 		group all spin/random 11 2.50
  5780 settings made for spin/random

pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
# pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
fix_modify	1 energy yes

timestep	0.0001

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo          100
thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin/cg
# min_modify 	line spin_none discrete_factor 10.0
minimize        1.0e-10 1.0e-10 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
WARNING: Line search incompatible gneb (../min_spin_cg.cpp:105)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1
  ghost atom cutoff = 6.1
  binsize = 3.05, bins = 45 45 7
  3 neighbor lists, perpetual/occasional/extra = 3 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair spin/magelec, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (3) pair spin/dmi, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 7.788 | 7.788 | 7.788 Mbytes
Step Time v_magnorm v_emag v_tmag Temp TotEng 
       0                    0   0.0100717228668283  -0.0819172086358889     14831.3069413956                    0  -0.0819172086358937 
     100                 0.01 8.80197005315463e-06     -66.403173198835  0.00226660536216922                    0    -66.4031731988351 
     200                 0.02  6.7090325022051e-06     -66.563539121677  0.00103783628361663                    0    -66.5635391216769 
     300                 0.03 4.53816034526952e-06    -66.7355384861727  0.00144833375067451                    0    -66.7355384861724 
     400                 0.04 9.04820921046463e-07    -66.8839217283311 0.000682239601485917                    0     -66.883921728331 
     500                 0.05 1.68661601751279e-06    -66.9469610803655  0.00032462625992713                    0    -66.9469610803655 
     600                 0.06 1.78038217786708e-06    -66.9786113403506 0.000160730704849447                    0    -66.9786113403508 
     700                 0.07  1.4919905772389e-06    -66.9936279438931 7.39864656758075e-05                    0    -66.9936279438932 
     800                 0.08 1.15173756711682e-06    -67.0004605630262 3.33959465206457e-05                    0    -67.0004605630265 
     900                 0.09 8.48526364761828e-07    -67.0035249294341 1.49345737358251e-05                    0    -67.0035249294341 
    1000                  0.1 6.10346492874848e-07    -67.0048957578355 6.71648807105468e-06                    0    -67.0048957578356 
Loop time of 2.40179 on 4 procs for 1000 steps with 5780 atoms

100.0% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
      -0.0819172086359     -67.0048809251     -67.0048957578
  Force two-norm initial, final = 0 0
  Force max component initial, final = 0 0
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 1000 1000

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.1174     | 2.1533     | 2.179      |   1.6 | 89.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049849   | 0.075596   | 0.11152    |   8.4 |  3.15
Output  | 0.082974   | 0.084081   | 0.085145   |   0.3 |  3.50
Modify  | 0.0082345  | 0.008339   | 0.008424   |   0.1 |  0.35
Other   |            | 0.08043    |            |       |  3.35

Nlocal:    1445 ave 1445 max 1445 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    555 ave 555 max 555 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  23120 ave 23120 max 23120 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92480
Ave neighs/atom = 16
Neighbor list builds = 0
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:02
